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Volumn 106, Issue 47, 2002, Pages 11637-11643

Density functional theory study of alkali metal-noble metal diatomic molecules

Author keywords

[No Author keywords available]

Indexed keywords

WAVE FUNCTIONS;

EID: 0037191854     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp026550w     Document Type: Article
Times cited : (30)

References (30)
  • 14
    • 0011873249 scopus 로고    scopus 로고
    • All basis sets and RECP's are taken from the web site of the EMSL Basis Set Library. http://www.emsl.pnl.gov:2080/forms/basisform.html.
  • 21
    • 0011870233 scopus 로고    scopus 로고
    • LYP
    • LYP.
  • 24
    • 0011838118 scopus 로고    scopus 로고
    • The parameters a, b, and c are those determined in ref 23 but with the nonlocal correlation functional replaced by P86
    • The parameters a, b, and c are those determined in ref 23 but with the nonlocal correlation functional replaced by P86.
  • 28
    • 0011909820 scopus 로고    scopus 로고
    • Experimental IP of the AM and EA of the NM were obtained from the website: http://www.webelements.com.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.